methyl 5-amino-2-(4-methylpiperazin-1-yl)benzoate | 774126-94-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: methyl 5-amino-2-(4-methylpiperazin-1-yl)benzoate
• CAS: 774126-94-2
• 化学式: C₁₃H₁₉N₃O₂
• mdl: MFCD11841015
• 分子量: 249.313
• InChiKey: TYZKUBXTEGKYTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  58.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 5-amino-2-(4-methylpiperazin-1-yl)benzoate 在 盐酸 、 水 、 三氟乙酸 作用下， 以 四氢呋喃 、 仲丁醇 为溶剂， 反应 20.0h， 生成 5-[8-allyl-6-(2,6-dimethylphenyl)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-2-ylamino]-2-(4-methylpiperazin-1-yl)benzoic acid
  参考文献：
  名称：

  [EN] PYRIMIDOPYRIMIDONE COMPOUNDS AND METHODS OF USE THEREOF
  [FR] COMPOSÉS DE PYRIMIDOPYRIMIDONE ET LEURS MÉTHODES D'UTILISATION

  摘要：

  Provided are, inter alia, compounds having a structure of Formula (I)-(VL), pharmaceutical compositions including the same, and methods of use. In one aspect, compounds are provided that can inhibit salt-inducible kinases (SIK) and methods of treating a disease or disorder using the compounds. Further provided is a method of producing compounds of Formula (I) or (II).

  公开号：

  WO2023225097A1
• 作为产物：
  描述：

  methyl 2-(4-methyl-piperazin-1-yl)-5-nitro-benzoate 在 palladium on activated charcoal 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 以100 %的产率得到methyl 5-amino-2-(4-methylpiperazin-1-yl)benzoate
  参考文献：
  名称：

  [EN] PYRIMIDOPYRIMIDONE COMPOUNDS AND METHODS OF USE THEREOF
  [FR] COMPOSÉS DE PYRIMIDOPYRIMIDONE ET LEURS MÉTHODES D'UTILISATION

  摘要：

  Provided are, inter alia, compounds having a structure of Formula (I)-(VL), pharmaceutical compositions including the same, and methods of use. In one aspect, compounds are provided that can inhibit salt-inducible kinases (SIK) and methods of treating a disease or disorder using the compounds. Further provided is a method of producing compounds of Formula (I) or (II).

  公开号：

  WO2023225097A1

文献信息

• PYRIDOPYRIMIDINONE INHIBITORS OF KINASES
  申请人：AbbVie Inc.

  公开号：US20130225589A1

  公开（公告）日：2013-08-29

  The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts, wherein R 1 , R 2 , R 3 , R 4 , and B are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as wee-1 and methods of treating diseases such as cancer.

  本发明涉及式(I)化合物或药理可接受的盐，其中R1、R2、R3、R4和B在描述中定义。本发明还涉及包含所述化合物的组合物，这些化合物可用于抑制诸如wee-1的激酶，以及治疗诸如癌症疾病的方法。
• US9181239B2
  申请人：——

  公开号：US9181239B2

  公开（公告）日：2015-11-10
• US9718821B2
  申请人：——

  公开号：US9718821B2

  公开（公告）日：2017-08-01
• [EN] PYRIDOPYRIMIDINONE INHIBITORS OF KINASES<br/>[FR] COMPOSÉS DE PYRIDOPYRIMIDINONE INHIBITEURS DE KINASES
  申请人：ABBVIE INC

  公开号：WO2013059485A1

  公开（公告）日：2013-04-25

  The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts, wherein R1, R2, R3, R4, and B are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as wee-1 and methods of treating diseases such as cancer.
• [EN] PYRIDOPYRIMIDINONE INHIBITORS OF KINASES<br/>[FR] DÉRIVÉS DE PYRIDOPYRIMIDINONE INHIBITEURS DE KINASES
  申请人：ABBVIE INC

  公开号：WO2013126656A1

  公开（公告）日：2013-08-29

  The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts, wherein R1, R2, R3, R4, and B are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as wee-1 and methods of treating diseases such as cancer.